5UJF

Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dihydrofolate reductase	polymer	180	19963.6	1	UniProt (P9WNX1) Pfam (PF00186) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	A	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	A	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid	non-polymer		360.4	1	Chemie (MMV)
5		water	water		18.0	29	Chemie (HOH)

Sequence modifications

A: 1 - 159 (UniProt: P9WNX1)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19963.6
Non-Polymers*	Number of molecules	5
	Total formula weight	710.7
All*	Total formula weight	20674.2

*Water molecules are not included.